CID 72051

Eberconazole

Structural Information

Molecular Formula
C18H14Cl2N2
SMILES
C1CC2=C(C(C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl
InChI
InChI=1S/C18H14Cl2N2/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22/h1-4,7-11,18H,5-6H2
InChIKey
MPTJIDOGFUQSQH-UHFFFAOYSA-N
Compound name
1-(4,6-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

1900
Patents

328.0534 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06068 174.5
[M+Na]+ 351.04262 186.6
[M-H]- 327.04612 180.5
[M+NH4]+ 346.08722 190.6
[M+K]+ 367.01656 181.5
[M+H-H2O]+ 311.05066 165.7
[M+HCOO]- 373.05160 184.2
[M+CH3COO]- 387.06725 185.4
[M+Na-2H]- 349.02807 177.6
[M]+ 328.05285 174.5
[M]- 328.05395 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe